Reaction Details | |||
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Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM50369418 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_195058 (CHEMBL797513) | ||
IC50 | 4300±n/a nM | ||
Citation | Smith, RH; Jorgensen, WL; Tirado-Rives, J; Lamb, ML; Janssen, PA; Michejda, CJ; Kroeger Smith, MB Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method. J Med Chem41:5272-86 (1999) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Reverse transcriptase/RNaseH | |||
Name: | Reverse transcriptase/RNaseH | ||
Synonyms: | HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH | ||
Type: | PROTEIN | ||
Mol. Mass.: | 65229.15 | ||
Organism: | Human immunodeficiency virus 1 | ||
Description: | ChEMBL_1473730 | ||
Residue: | 566 | ||
Sequence: |
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BDBM50369418 | |||
n/a | |||
Name | BDBM50369418 | ||
Synonyms: | CHEMBL58711 | R-87027 | ||
Type | Small organic molecule | ||
Emp. Form. | C16H20ClN3S | ||
Mol. Mass. | 321.868 | ||
SMILES | C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| | ||
Structure |